Vitas-M small molecule compound
2'-butyl-N-[(2E)-5-cyclopropyl-1,3,4-thiadiazol-2(3H)-ylidene]-1'-oxo-1',4'-dihydro-2'H-spiro[cyclopentane-1,3'-isoquinoline]-4'-carboxamide
Catalog ID
STL248227
SMILES CCCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)/N=c/1\[nH]nc(s1)C1CC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H28N4O2S MW 424.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N4O2S/c1-2-3-14-27-21(29)17-9-5-4-8-16(17)18(23(27)12-6-7-13-23)19(28)24-22-26-25-20(30-22)15-10-11-15/h4-5,8-9,15,18H,2-3,6-7,10-14H2,1H3,(H,24,26,28)InChIKey
FUOIEJWZDOXSRJ-UHFFFAOYSA-NSynonyms
1351671-58-31351671583
2butylN((2E)5cyclopropyl134thiadiazol2(3H)ylidene)1oxo14dihydro2Hspiro(cyclopentane13isoquinoline)4carboxamide
CCCCN1C(=O)c2ccccc2C(C21CCCC2)C(=O)N=c1(nH)nc(s1)C1CC1
MFCD24861138
ZINC000072402034
ZINC000072402035
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